ethyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V015-0523 |
| Compound Name: | ethyl 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccncc2)n1c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6736 |
| logD: | 3.6733 |
| logSw: | -3.7672 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.865 |
| InChI Key: | XZWDJLQEVWNPDH-AWEZNQCLSA-N |